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Iron in PDB 1yca: Distal Pocket Polarity in Ligand Binding to Myoglobin: Deoxy and Carbonmonoxy Forms of A THREONINE68 (E11) Mutant Investigated By X-Ray Crystallography and Infrared Spectroscopy

Protein crystallography data

The structure of Distal Pocket Polarity in Ligand Binding to Myoglobin: Deoxy and Carbonmonoxy Forms of A THREONINE68 (E11) Mutant Investigated By X-Ray Crystallography and Infrared Spectroscopy, PDB code: 1yca was solved by A.D.Cameron, S.J.Smerdon, A.J.Wilkinson, J.Habash, J.R.Helliwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 124.200, 42.500, 92.100, 90.00, 92.20, 90.00
R / Rfree (%) n/a / n/a

Iron Binding Sites:

The binding sites of Iron atom in the Distal Pocket Polarity in Ligand Binding to Myoglobin: Deoxy and Carbonmonoxy Forms of A THREONINE68 (E11) Mutant Investigated By X-Ray Crystallography and Infrared Spectroscopy (pdb code 1yca). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Distal Pocket Polarity in Ligand Binding to Myoglobin: Deoxy and Carbonmonoxy Forms of A THREONINE68 (E11) Mutant Investigated By X-Ray Crystallography and Infrared Spectroscopy, PDB code: 1yca:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1yca

Go back to Iron Binding Sites List in 1yca
Iron binding site 1 out of 2 in the Distal Pocket Polarity in Ligand Binding to Myoglobin: Deoxy and Carbonmonoxy Forms of A THREONINE68 (E11) Mutant Investigated By X-Ray Crystallography and Infrared Spectroscopy


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Distal Pocket Polarity in Ligand Binding to Myoglobin: Deoxy and Carbonmonoxy Forms of A THREONINE68 (E11) Mutant Investigated By X-Ray Crystallography and Infrared Spectroscopy within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe154

b:14.9
occ:1.00
FE A:HEM154 0.0 14.9 1.0
C A:CMO155 1.8 16.0 1.0
NA A:HEM154 2.0 13.6 1.0
NC A:HEM154 2.0 15.5 1.0
ND A:HEM154 2.0 14.8 1.0
NB A:HEM154 2.0 13.9 1.0
NE2 A:HIS93 2.1 14.6 1.0
O A:CMO155 3.0 18.5 1.0
C1A A:HEM154 3.0 14.5 1.0
C4D A:HEM154 3.0 15.5 1.0
C4A A:HEM154 3.0 13.7 1.0
C1B A:HEM154 3.0 13.4 1.0
C1D A:HEM154 3.0 15.1 1.0
CD2 A:HIS93 3.0 14.6 1.0
C4C A:HEM154 3.1 15.4 1.0
C4B A:HEM154 3.1 13.2 1.0
C1C A:HEM154 3.1 15.4 1.0
CE1 A:HIS93 3.1 14.7 1.0
CHA A:HEM154 3.3 14.7 1.0
CHC A:HEM154 3.4 14.2 1.0
CHB A:HEM154 3.4 12.7 1.0
CHD A:HEM154 3.5 15.1 1.0
ND1 A:HIS93 4.2 14.7 1.0
CG A:HIS93 4.2 14.9 1.0
C3A A:HEM154 4.2 13.6 1.0
C3D A:HEM154 4.2 16.4 1.0
C2A A:HEM154 4.3 14.1 1.0
C3C A:HEM154 4.3 15.1 1.0
C3B A:HEM154 4.3 12.9 1.0
C2B A:HEM154 4.3 13.3 1.0
C2D A:HEM154 4.3 15.8 1.0
NE2 A:HIS64 4.3 16.4 1.0
C2C A:HEM154 4.3 15.3 1.0
OG1 A:THR68 4.9 11.9 1.0
CE1 A:HIS64 4.9 15.0 1.0

Iron binding site 2 out of 2 in 1yca

Go back to Iron Binding Sites List in 1yca
Iron binding site 2 out of 2 in the Distal Pocket Polarity in Ligand Binding to Myoglobin: Deoxy and Carbonmonoxy Forms of A THREONINE68 (E11) Mutant Investigated By X-Ray Crystallography and Infrared Spectroscopy


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Distal Pocket Polarity in Ligand Binding to Myoglobin: Deoxy and Carbonmonoxy Forms of A THREONINE68 (E11) Mutant Investigated By X-Ray Crystallography and Infrared Spectroscopy within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe154

b:14.0
occ:1.00
FE B:HEM154 0.0 14.0 1.0
C B:CMO155 1.8 13.1 1.0
NA B:HEM154 1.9 12.2 1.0
NC B:HEM154 2.0 12.3 1.0
ND B:HEM154 2.0 14.0 1.0
NB B:HEM154 2.0 12.3 1.0
NE2 B:HIS93 2.1 14.3 1.0
O B:CMO155 3.0 13.3 1.0
C4A B:HEM154 3.0 13.0 1.0
C1A B:HEM154 3.0 14.5 1.0
C1C B:HEM154 3.0 12.9 1.0
C1B B:HEM154 3.0 11.7 1.0
C4C B:HEM154 3.0 12.4 1.0
CE1 B:HIS93 3.1 15.2 1.0
C4D B:HEM154 3.1 14.9 1.0
C1D B:HEM154 3.1 13.7 1.0
C4B B:HEM154 3.1 10.9 1.0
CD2 B:HIS93 3.1 15.5 1.0
CHB B:HEM154 3.4 12.0 1.0
CHA B:HEM154 3.4 14.7 1.0
CHC B:HEM154 3.4 12.2 1.0
CHD B:HEM154 3.5 12.6 1.0
ND1 B:HIS93 4.2 14.4 1.0
CG B:HIS93 4.2 15.6 1.0
C2C B:HEM154 4.2 12.4 1.0
C2A B:HEM154 4.3 14.1 1.0
C3C B:HEM154 4.3 12.4 1.0
C3A B:HEM154 4.3 12.7 1.0
C2B B:HEM154 4.3 10.9 1.0
C3B B:HEM154 4.3 10.7 1.0
C3D B:HEM154 4.3 16.0 1.0
C2D B:HEM154 4.3 14.7 1.0
NE2 B:HIS64 4.3 12.8 1.0

Reference:

A.D.Cameron, S.J.Smerdon, A.J.Wilkinson, J.Habash, J.R.Helliwell, T.Li, J.S.Olson. Distal Pocket Polarity in Ligand Binding to Myoglobin: Deoxy and Carbonmonoxy Forms of A THREONINE68(E11) Mutant Investigated By X-Ray Crystallography and Infrared Spectroscopy. Biochemistry V. 32 13061 1993.
ISSN: ISSN 0006-2960
PubMed: 8241160
DOI: 10.1021/BI00211A016
Page generated: Sat Aug 3 17:27:47 2024

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